N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C19H29N3O3S — CID 78875306

IUPACN-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H29N3O3S/c1-3-21(4-2)17(23)11-7-12-20-18(24)15-9-5-6-13-22(15)19(25)16-10-8-14-26-16/h8,10,14-15H,3-7,9,11-13H2,1-2H3,(H,20,24)
InChIKeyJYMSCAAALYHAJH-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.51
Rot. Bonds8

About N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78875306) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78875306
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H29N3O3S/c1-3-21(4-2)17(23)11-7-12-20-18(24)15-9-5-6-13-22(15)19(25)16-10-8-14-26-16/h8,10,14-15H,3-7,9,11-13H2,1-2H3,(H,20,24)
InChIKeyJYMSCAAALYHAJH-UHFFFAOYSA-N
XLogP2.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235
N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86919860
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844704
N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78892566
N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86920742
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2R)-N-[[(2R)-thiolan-2-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 124573724

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78875306) is N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CCN(CC)C(=O)CCCNC(=O)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is JYMSCAAALYHAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-3-21(4-2)17(23)11-7-12-20-18(24)15-9-5-6-13-22(15)19(25)16-10-8-14-26-16/h8,10,14-15H,3-7,9,11-13H2,1-2H3,(H,20,24).
What are the key properties of N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78875306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).